(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine

C17H24FN3 — CID 81353172

IUPAC(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCCn1nc(C)c(C(C)N[C@@H](C)c2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-6-21-14(5)17(13(4)20-21)12(3)19-11(2)15-8-7-9-16(18)10-15/h7-12,19H,6H2,1-5H3/t11-,12?/m0/s1
InChIKeyDXJDNNIFCCQOHS-PXYINDEMSA-N
MW289.40 g/mol
LogP4.07
Rot. Bonds5

About (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81353172) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81353172
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCCn1nc(C)c(C(C)N[C@@H](C)c2cccc(F)c2)c1C
InChIInChI=1S/C17H24FN3/c1-6-21-14(5)17(13(4)20-21)12(3)19-11(2)15-8-7-9-16(18)10-15/h7-12,19H,6H2,1-5H3/t11-,12?/m0/s1
InChIKeyDXJDNNIFCCQOHS-PXYINDEMSA-N
XLogP4.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81364940
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
N-[(1S)-1-(3-fluorophenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 81364729
(1S)-1-(3-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81365857
(1R)-N-[1-(3,4-difluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81368634
1-(3-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993212
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81353172) is (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is CCn1nc(C)c(C(C)N[C@@H](C)c2cccc(F)c2)c1C.
What is the InChIKey of (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is DXJDNNIFCCQOHS-PXYINDEMSA-N. The full InChI is InChI=1S/C17H24FN3/c1-6-21-14(5)17(13(4)20-21)12(3)19-11(2)15-8-7-9-16(18)10-15/h7-12,19H,6H2,1-5H3/t11-,12?/m0/s1.
What are the key properties of (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 289.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81353172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).